SCHEMBL6962446

SCHEMBL6962446

Cc1c(COC(=O)c2cccc3ccccc23)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NR1D1 P20393 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.32
CDC25B P30305 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25C P30307 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6968472 0.92 NPSR1 (0.34) NPSR1JAK2JAK1LMNAHPGD
SCHEMBL6958921 0.90 DRD1 (0.36) NPSR1JAK2JAK1KDM4ELMNA
SCHEMBL6963603 0.89 KCNH3 (0.36) NPSR1KDM4ELMNAHPGDTSHR
SCHEMBL6967711 0.88 TRPC3 (0.37) NPSR1JAK2JAK1KDM4ELMNA
SCHEMBL6955503 0.87 MAPT (0.35) JAK1KDM4ELMNAKMT2AMAPT
SCHEMBL6962206 0.87 MAPT (0.36) NPSR1JAK2JAK1KDM4ETSHR
SCHEMBL6967941 0.86 TRPC3 (0.34) NPSR1JAK2JAK1KDM4ELMNA
SCHEMBL6967410 0.86 KCNH3 (0.34) NPSR1JAK2JAK1KDM4ELMNA
SCHEMBL6963630 0.86 GAA (0.36) NPSR1JAK2JAK1LMNAHPGD
SCHEMBL6957788 0.85 TRPM8 (0.37) NPSR1JAK2JAK1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed